6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine

C17H20BrN3 — CID 79530696

IUPAC6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine
SMILESNc1cnc(N2CCC(Cc3ccccc3)CC2)c(Br)c1
InChIInChI=1S/C17H20BrN3/c18-16-11-15(19)12-20-17(16)21-8-6-14(7-9-21)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10,19H2
InChIKeyIDAZDCWLINFZTC-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.89
Rot. Bonds3

About 6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine

6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine (PubChem CID 79530696) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine
PubChem CID79530696
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine
SMILESNc1cnc(N2CCC(Cc3ccccc3)CC2)c(Br)c1
InChIInChI=1S/C17H20BrN3/c18-16-11-15(19)12-20-17(16)21-8-6-14(7-9-21)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10,19H2
InChIKeyIDAZDCWLINFZTC-UHFFFAOYSA-N
XLogP3.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide
CID 79532624
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CID 79918295
4-(4-benzylpiperidin-1-yl)-3-bromopyridine
CID 104778025
4-(4-benzylpiperidin-1-yl)-3-fluoroaniline
CID 43346322
4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
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2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82695714
5-bromo-6-(4-propan-2-ylazepan-1-yl)pyridin-3-amine
CID 79535102
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine
CID 115473666
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine
CID 104918666
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CID 42670559

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine (CID 79530696) is 6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine is Nc1cnc(N2CCC(Cc3ccccc3)CC2)c(Br)c1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine?
The InChIKey is IDAZDCWLINFZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c18-16-11-15(19)12-20-17(16)21-8-6-14(7-9-21)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10,19H2.
What are the key properties of 6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine?
6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine has a molecular weight of 346.27 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine is sourced from PubChem (CID 79530696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).